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CHEBI:173006 - 23-ethyl-24-methyl-27-norcholesta-5,25-dien-3beta-ol

ChEBI IDCHEBI:173006
ChEBI Name23-ethyl-24-methyl-27-norcholesta-5,25-dien-3beta-ol
Stars
Last Modified17 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O
Net Charge0
Average Mass412.702
Monoisotopic Mass412.37052
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC(CC)C(C)C=C
InChIInChI=1S/C29H48O/c1-7-19(3)21(8-2)17-20(4)25-11-12-26-24-10-9-22-18-23(30)13-15-28(22,5)27(24)14-16-29(25,26)6/h7,9,19-21,23-27,30H,1,8,10-18H2,2-6H3/t19?,20-,21?,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKeyDPYKOZVWDOMMAH-CYACLDDTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
23-ethyl-24-methyl-27-norcholesta-5,25-dien-3beta-ol (CHEBI:173006) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
IUPAC Name 
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-ethyl-5-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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